==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 14-APR-13 4K5L . COMPND 2 MOLECULE: M1 FAMILY AMINOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM FCB1/COLUMBIA; . AUTHOR S.MCGOWAN . 889 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35608.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 639 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 125 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 56 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 95 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 304 34.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 4 0 0 2 1 1 3 2 2 0 1 2 1 0 1 1 2 0 0 0 0 0 0 0 1 1 1 RESIDUES PER ALPHA HELIX . 3 1 1 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 4 1 3 2 2 1 0 4 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 3 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 196 A P 0 0 162 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 97.1 2.2 4.0 33.8 2 197 A K - 0 0 138 372,-0.1 2,-0.5 1,-0.0 371,-0.0 -0.491 360.0-151.4 -75.7 132.5 -0.5 5.4 31.4 3 198 A I - 0 0 72 -2,-0.2 2,-0.5 369,-0.0 371,-0.2 -0.899 0.3-152.1-111.7 125.7 -1.2 3.4 28.2 4 199 A H E -A 373 0A 67 369,-3.1 369,-2.0 -2,-0.5 2,-0.4 -0.807 11.6-160.8 -96.1 130.2 -2.4 5.0 24.9 5 200 A Y E > -A 372 0A 109 -2,-0.5 3,-1.2 367,-0.2 367,-0.3 -0.905 18.9-137.1-113.5 138.2 -4.5 2.8 22.6 6 201 A R G > S+ 0 0 55 365,-2.5 3,-1.1 -2,-0.4 366,-0.1 0.778 102.5 59.0 -61.7 -30.7 -5.1 3.6 18.9 7 202 A K G 3 S+ 0 0 103 364,-0.4 -1,-0.2 1,-0.2 365,-0.1 0.585 93.9 69.1 -79.6 -5.8 -8.8 2.7 18.9 8 203 A D G < + 0 0 110 -3,-1.2 -1,-0.2 2,-0.0 -2,-0.1 0.222 67.4 139.2 -90.8 11.5 -9.3 5.4 21.6 9 204 A Y < + 0 0 69 -3,-1.1 -3,-0.0 307,-0.0 307,-0.0 -0.403 21.2 164.6 -65.1 129.9 -8.6 8.3 19.2 10 205 A K - 0 0 60 -2,-0.1 -2,-0.0 0, 0.0 33,-0.0 -0.983 39.6-109.9-142.7 135.7 -11.1 11.2 19.8 11 206 A P - 0 0 56 0, 0.0 2,-0.0 0, 0.0 30,-0.0 -0.233 47.0 -95.4 -60.8 151.8 -10.8 14.8 18.5 12 207 A S - 0 0 16 2,-0.2 31,-0.4 1,-0.1 32,-0.2 -0.320 16.3-131.0 -65.3 150.6 -10.1 17.5 21.2 13 208 A G S S+ 0 0 5 30,-0.2 28,-1.4 29,-0.1 2,-0.3 0.291 91.0 61.5 -78.3 7.7 -12.9 19.5 22.9 14 209 A F E -B 40 0B 12 26,-0.3 2,-0.4 29,-0.1 26,-0.2 -0.903 66.5-150.8-131.8 162.5 -10.7 22.6 22.2 15 210 A I E -B 39 0B 56 24,-2.2 24,-2.2 -2,-0.3 2,-0.5 -0.990 2.6-158.9-130.6 138.7 -9.2 24.5 19.3 16 211 A I E +B 38 0B 1 -2,-0.4 22,-0.2 125,-0.3 3,-0.1 -0.979 17.4 169.8-115.2 113.9 -6.0 26.5 19.2 17 212 A N E + 0 0 65 20,-2.9 126,-1.8 -2,-0.5 2,-0.4 0.816 62.9 20.0 -91.5 -34.4 -6.1 28.9 16.3 18 213 A Q E -Bc 37 143B 35 19,-1.3 19,-2.8 124,-0.2 2,-0.4 -1.000 54.8-165.4-147.6 132.7 -3.1 31.2 17.0 19 214 A V E -Bc 36 144B 0 124,-2.7 126,-2.1 -2,-0.4 2,-0.5 -0.979 5.4-171.7-111.9 131.8 0.1 31.0 19.0 20 215 A T E -Bc 35 145B 42 15,-2.2 15,-1.9 -2,-0.4 2,-0.4 -0.967 14.6-169.9-123.3 120.0 2.1 34.1 19.7 21 216 A L E -Bc 34 146B 0 124,-3.0 126,-3.2 -2,-0.5 2,-0.5 -0.869 21.0-173.3-113.7 144.0 5.5 33.4 21.4 22 217 A N E -Bc 33 147B 61 11,-2.4 11,-2.8 -2,-0.4 2,-0.6 -0.986 11.3-173.3-129.0 114.6 8.1 35.5 23.0 23 218 A I E -Bc 32 148B 0 124,-3.0 126,-2.4 -2,-0.5 2,-0.7 -0.947 2.0-170.5-111.1 112.6 11.2 33.5 23.9 24 219 A N E -Bc 31 149B 36 7,-3.0 7,-2.4 -2,-0.6 2,-0.6 -0.899 7.9-157.0-112.0 111.2 13.8 35.5 25.9 25 220 A I E +B 30 0B 5 124,-2.8 126,-0.3 -2,-0.7 5,-0.2 -0.783 16.9 173.0 -96.9 120.4 17.1 33.8 26.3 26 221 A H - 0 0 78 3,-2.4 3,-0.1 -2,-0.6 123,-0.0 -0.668 45.0 -99.8-118.9 170.2 19.3 34.8 29.2 27 222 A D S S+ 0 0 88 -2,-0.2 77,-0.1 1,-0.2 3,-0.1 0.919 119.7 22.9 -55.9 -48.1 22.6 33.4 30.6 28 223 A Q S S+ 0 0 182 1,-0.2 2,-0.3 75,-0.0 -1,-0.2 0.425 131.9 7.9-105.8 -0.3 21.0 31.5 33.5 29 224 A E - 0 0 71 -3,-0.1 -3,-2.4 73,-0.1 2,-0.4 -0.978 57.6-130.4-171.8 159.2 17.4 31.0 32.2 30 225 A T E -BD 25 101B 1 71,-3.1 71,-2.7 -2,-0.3 2,-0.5 -0.995 19.2-151.8-123.0 126.7 15.0 31.4 29.3 31 226 A I E -BD 24 100B 30 -7,-2.4 -7,-3.0 -2,-0.4 2,-0.6 -0.845 10.0-164.6 -96.5 125.2 11.6 33.1 29.9 32 227 A V E -BD 23 99B 0 67,-3.2 67,-2.4 -2,-0.5 2,-0.5 -0.957 4.4-172.0-117.0 116.2 8.8 32.0 27.5 33 228 A R E -BD 22 98B 34 -11,-2.8 -11,-2.4 -2,-0.6 2,-0.4 -0.918 12.4-177.9 -99.7 133.3 5.6 34.1 27.2 34 229 A S E -BD 21 97B 4 63,-2.6 63,-2.1 -2,-0.5 2,-0.5 -0.998 19.5-167.9-137.6 138.7 2.8 32.6 25.2 35 230 A V E -BD 20 96B 59 -15,-1.9 -15,-2.2 -2,-0.4 2,-0.6 -0.994 10.7-165.9-119.9 122.4 -0.6 33.7 24.1 36 231 A L E -BD 19 95B 0 59,-3.5 59,-2.5 -2,-0.5 2,-0.8 -0.937 11.9-149.1-107.6 119.9 -2.9 31.0 22.7 37 232 A D E +BD 18 94B 69 -19,-2.8 -20,-2.9 -2,-0.6 -19,-1.3 -0.784 35.9 178.3 -86.7 114.5 -6.1 32.2 20.9 38 233 A M E -BD 16 93B 3 55,-3.1 55,-1.9 -2,-0.8 2,-0.3 -0.617 22.8-169.7-120.6 167.7 -8.5 29.4 21.6 39 234 A D E -B 15 0B 35 -24,-2.2 -24,-2.2 53,-0.2 2,-0.5 -0.915 32.4-104.7-147.9 171.7 -12.1 28.2 21.0 40 235 A I E -B 14 0B 38 -2,-0.3 -26,-0.3 -26,-0.2 2,-0.1 -0.877 40.2-143.6 -98.1 128.0 -14.4 25.4 22.1 41 236 A S > - 0 0 18 -28,-1.4 3,-1.7 -2,-0.5 -26,-0.1 -0.450 27.2-101.5 -87.1 172.6 -14.9 22.7 19.4 42 237 A K T 3 S+ 0 0 188 1,-0.3 -29,-0.1 -2,-0.1 -1,-0.1 0.543 120.7 60.7 -65.9 -9.1 -18.0 20.8 18.5 43 238 A H T 3 S+ 0 0 90 -31,-0.4 -1,-0.3 -29,-0.0 -30,-0.2 0.462 78.0 120.9 -97.8 -4.3 -16.7 17.8 20.5 44 239 A N < + 0 0 41 -3,-1.7 -30,-0.1 -31,-0.2 -4,-0.0 -0.273 36.3 179.7 -64.5 143.9 -16.6 19.8 23.7 45 240 A V - 0 0 129 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.030 64.5 -82.9-135.7 29.4 -18.7 18.5 26.7 46 241 A G S S+ 0 0 45 1,-0.2 39,-0.1 -33,-0.1 42,-0.1 0.640 78.8 159.6 80.0 17.7 -17.9 21.0 29.4 47 242 A E - 0 0 63 1,-0.1 -1,-0.2 37,-0.1 41,-0.0 -0.207 48.3 -87.3 -73.5 160.9 -14.6 19.3 30.4 48 243 A D - 0 0 64 1,-0.1 2,-0.7 36,-0.1 36,-0.2 -0.304 43.9-113.6 -52.4 142.8 -11.6 20.8 32.3 49 244 A L E -I 83 0C 0 34,-2.4 34,-3.2 -3,-0.1 2,-0.5 -0.845 39.8-170.3 -82.9 116.5 -9.1 22.5 30.0 50 245 A V E -I 82 0C 60 -2,-0.7 2,-0.4 32,-0.2 32,-0.2 -0.955 4.4-172.2-119.2 114.0 -6.0 20.2 30.3 51 246 A F E -I 81 0C 0 30,-2.6 30,-3.0 -2,-0.5 2,-0.3 -0.862 24.1-121.8-100.6 143.1 -2.7 21.4 28.9 52 247 A D E +IJ 80 134C 23 82,-2.9 82,-1.9 -2,-0.4 28,-0.2 -0.583 41.4 157.1 -70.6 139.6 0.5 19.4 28.6 53 248 A G - 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0 0 101 -3,-1.3 -3,-0.2 -4,-0.5 3,-0.1 0.937 32.6-163.4 54.0 47.2 48.4 -13.2 8.7 715 910 A Y > < - 0 0 40 -5,-2.4 3,-2.3 1,-0.2 4,-0.3 -0.404 37.0 -76.9 -58.6 138.7 49.1 -13.3 5.0 716 911 A P T 3 S- 0 0 94 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.107 109.1 -11.8 -49.9 121.8 52.9 -13.1 4.5 717 912 A N T >> S+ 0 0 126 -3,-0.1 3,-1.8 1,-0.1 4,-0.7 0.533 85.3 140.9 69.0 11.5 54.3 -9.5 4.9 718 913 A I H <> + 0 0 1 -3,-2.3 4,-2.2 1,-0.3 3,-0.4 0.756 59.9 73.7 -54.3 -26.2 50.8 -8.0 4.9 719 914 A L H 3> S+ 0 0 43 -4,-0.3 4,-2.6 1,-0.3 -1,-0.3 0.864 88.7 59.7 -60.3 -33.9 52.0 -5.6 7.7 720 915 A N H <> S+ 0 0 111 -3,-1.8 4,-2.1 1,-0.2 -1,-0.3 0.902 107.5 46.4 -54.2 -43.6 54.0 -3.7 5.0 721 916 A E H X S+ 0 0 22 -4,-0.7 4,-2.6 -3,-0.4 -2,-0.2 0.900 110.6 51.9 -68.8 -39.9 50.7 -3.1 3.2 722 917 A I H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.913 109.7 48.9 -58.5 -47.5 48.9 -2.0 6.4 723 918 A I H X S+ 0 0 33 -4,-2.6 4,-0.5 2,-0.2 3,-0.3 0.932 112.3 47.8 -64.1 -46.4 51.7 0.5 7.3 724 919 A E H >< S+ 0 0 130 -4,-2.1 3,-1.8 1,-0.2 -1,-0.2 0.925 108.2 56.1 -58.5 -44.7 51.6 2.0 3.8 725 920 A H H >< S+ 0 0 9 -4,-2.6 3,-1.9 1,-0.3 -1,-0.2 0.858 96.5 64.7 -52.9 -38.1 47.7 2.2 4.0 726 921 A S H 3< S+ 0 0 5 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.720 96.4 58.5 -59.8 -20.4 48.0 4.3 7.2 727 922 A K T << S+ 0 0 127 -3,-1.8 -1,-0.3 -4,-0.5 -2,-0.2 0.364 79.5 120.8 -93.4 2.1 49.7 7.0 5.0 728 923 A S < - 0 0 16 -3,-1.9 6,-0.1 -4,-0.2 -3,-0.0 -0.359 67.2-135.1 -64.4 144.2 46.7 7.3 2.7 729 924 A P S S+ 0 0 59 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.740 84.0 89.3 -70.0 -20.5 45.0 10.8 2.6 730 925 A Y >> - 0 0 9 1,-0.1 4,-2.3 -49,-0.1 3,-1.0 -0.649 69.5-149.4 -86.0 121.7 41.5 9.0 2.9 731 926 A P H 3> S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.4 0.833 98.0 63.5 -58.8 -31.3 40.2 8.5 6.4 732 927 A S H 3> S+ 0 0 16 -445,-0.4 4,-0.9 1,-0.2 -444,-0.1 0.896 110.5 40.3 -58.9 -36.5 38.4 5.3 5.2 733 928 A N H <> S+ 0 0 0 -3,-1.0 4,-2.5 2,-0.2 -1,-0.2 0.930 116.9 45.3 -76.6 -50.6 41.8 3.9 4.4 734 929 A W H X S+ 0 0 12 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.829 114.1 48.0 -72.2 -29.0 43.8 5.1 7.4 735 930 A L H X S+ 0 0 7 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.820 110.4 53.9 -69.8 -34.2 41.1 4.2 10.0 736 931 A T H X S+ 0 0 27 -4,-0.9 4,-2.4 -5,-0.4 5,-0.3 0.930 102.5 57.5 -59.8 -38.4 41.0 0.8 8.2 737 932 A S H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.903 106.1 50.3 -63.0 -39.4 44.8 0.6 8.8 738 933 A L H < S+ 0 0 0 -4,-1.4 4,-0.5 2,-0.2 -1,-0.2 0.953 111.7 47.0 -56.7 -52.9 44.1 1.0 12.6 739 934 A S H >< S+ 0 0 31 -4,-2.0 3,-1.2 1,-0.2 37,-0.4 0.927 115.5 43.4 -58.6 -49.6 41.4 -1.8 12.6 740 935 A V H >< S+ 0 0 3 -4,-2.4 3,-1.1 1,-0.3 -1,-0.2 0.724 102.3 67.5 -73.9 -21.6 43.4 -4.4 10.7 741 936 A S G >< S+ 0 0 0 -4,-1.6 3,-2.4 -5,-0.3 6,-0.5 0.608 75.7 89.7 -70.1 -13.1 46.6 -3.6 12.6 742 937 A A G < S+ 0 0 8 -3,-1.2 -1,-0.2 -4,-0.5 36,-0.2 0.790 81.4 57.8 -49.8 -33.6 44.8 -5.2 15.7 743 938 A Y G < S+ 0 0 68 -3,-1.1 -1,-0.3 -4,-0.1 2,-0.2 0.380 105.9 61.4 -81.4 4.1 46.4 -8.6 14.6 744 939 A F S X S- 0 0 35 -3,-2.4 3,-1.2 -25,-0.0 -33,-0.0 -0.793 89.6-110.7-132.2 169.9 49.9 -7.2 14.8 745 940 A D T 3 S+ 0 0 110 1,-0.3 3,-0.4 -2,-0.2 4,-0.3 0.678 108.8 72.1 -78.7 -13.1 52.3 -5.7 17.3 746 941 A K T 3> + 0 0 82 1,-0.2 4,-2.1 -5,-0.2 -1,-0.3 0.410 65.0 105.5 -80.2 4.4 52.0 -2.3 15.6 747 942 A Y H <> S+ 0 0 1 -3,-1.2 4,-2.5 -6,-0.5 3,-0.2 0.936 79.9 44.3 -50.3 -57.9 48.4 -1.6 16.9 748 943 A F H > S+ 0 0 74 -3,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.828 108.9 57.1 -66.3 -29.8 49.2 1.0 19.5 749 944 A E H > S+ 0 0 106 -4,-0.3 4,-2.2 -3,-0.2 -1,-0.2 0.933 113.0 42.0 -62.3 -40.5 51.6 2.9 17.2 750 945 A L H X S+ 0 0 2 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.844 108.4 59.8 -75.0 -30.6 48.7 3.2 14.8 751 946 A Y H X S+ 0 0 5 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.947 111.0 41.6 -57.8 -50.8 46.3 4.0 17.6 752 947 A D H X S+ 0 0 92 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.915 114.7 50.7 -62.8 -45.5 48.4 7.1 18.5 753 948 A K H X S+ 0 0 84 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.935 115.4 41.3 -59.4 -50.4 49.1 8.1 14.8 754 949 A T H X S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.865 111.0 57.2 -72.3 -31.8 45.4 8.0 13.9 755 950 A Y H X S+ 0 0 72 -4,-2.3 4,-2.1 -5,-0.3 3,-0.4 0.960 107.8 49.0 -54.3 -51.0 44.3 9.7 17.2 756 951 A K H < S+ 0 0 132 -4,-2.5 4,-0.3 1,-0.2 -2,-0.2 0.879 111.1 49.2 -60.0 -37.6 46.6 12.5 16.3 757 952 A L H < S+ 0 0 86 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.797 120.8 36.1 -68.0 -27.0 45.0 12.7 12.8 758 953 A S H >< S+ 0 0 0 -4,-1.8 3,-1.6 -3,-0.4 7,-0.4 0.634 91.1 87.2 -97.4 -22.3 41.5 12.7 14.2 759 954 A K T 3< S+ 0 0 73 -4,-2.1 -1,-0.1 1,-0.3 -3,-0.1 0.687 84.6 54.0 -68.2 -18.3 41.6 14.7 17.5 760 955 A D T 3 S+ 0 0 108 -4,-0.3 2,-0.5 -3,-0.2 -1,-0.3 0.416 98.3 67.6 -98.8 5.8 41.1 18.2 16.1 761 956 A D S <> S- 0 0 9 -3,-1.6 4,-3.0 1,-0.1 5,-0.3 -0.971 72.8-148.4-127.9 115.5 37.8 17.4 14.2 762 957 A E H > S+ 0 0 36 -2,-0.5 4,-1.3 1,-0.2 -1,-0.1 0.850 97.8 40.5 -51.8 -42.0 34.9 16.6 16.5 763 958 A L H > S+ 0 0 12 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.871 113.8 51.7 -81.0 -34.5 33.3 14.2 14.0 764 959 A L H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.878 107.0 54.8 -65.2 -37.8 36.5 12.5 12.8 765 960 A L H X S+ 0 0 34 -4,-3.0 4,-2.5 -7,-0.4 -1,-0.2 0.898 106.4 52.2 -61.1 -39.7 37.3 11.9 16.5 766 961 A Q H X S+ 0 0 5 -4,-1.3 4,-2.1 -5,-0.3 -2,-0.2 0.899 108.1 50.2 -62.7 -41.4 34.0 10.1 16.8 767 962 A E H X S+ 0 0 20 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.874 109.3 51.9 -62.7 -40.0 34.8 7.9 13.8 768 963 A W H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.911 108.1 52.1 -57.5 -48.6 38.2 7.1 15.5 769 964 A L H X S+ 0 0 3 -4,-2.5 4,-3.3 1,-0.2 -2,-0.2 0.931 108.3 50.4 -55.3 -45.5 36.4 6.1 18.7 770 965 A K H X S+ 0 0 59 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.901 109.8 52.0 -58.9 -42.4 34.1 3.7 16.7 771 966 A T H < S+ 0 0 5 -4,-1.9 4,-0.3 2,-0.2 -2,-0.2 0.922 113.3 43.1 -59.4 -47.5 37.3 2.2 15.1 772 967 A V H >< S+ 0 0 0 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.957 113.6 51.4 -62.5 -51.1 38.9 1.6 18.4 773 968 A S H 3< S+ 0 0 0 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.839 113.4 45.4 -58.6 -35.2 35.6 0.3 20.0 774 969 A R T 3< S+ 0 0 126 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.442 86.1 128.6 -86.2 -3.6 35.2 -2.2 17.0 775 970 A S < - 0 0 0 -3,-1.9 2,-2.3 -4,-0.3 -35,-0.1 -0.353 65.9-126.3 -64.1 132.6 38.8 -3.3 17.1 776 971 A D + 0 0 67 -37,-0.4 2,-0.4 -2,-0.1 -1,-0.1 -0.458 56.9 150.2 -78.7 76.3 39.4 -7.1 17.2 777 972 A R > - 0 0 40 -2,-2.3 3,-1.2 1,-0.1 4,-0.1 -0.898 51.7-148.7-115.1 133.6 41.6 -6.9 20.3 778 973 A K T 3 S+ 0 0 83 -2,-0.4 3,-0.4 1,-0.2 -1,-0.1 0.861 106.7 49.0 -64.1 -32.5 42.2 -9.4 23.1 779 974 A D T 3> S+ 0 0 52 1,-0.2 4,-2.2 2,-0.1 3,-0.4 0.000 73.6 128.4 -95.4 31.4 42.8 -6.5 25.5 780 975 A I H <> + 0 0 0 -3,-1.2 4,-2.6 1,-0.2 -1,-0.2 0.836 68.4 56.4 -60.2 -35.9 39.6 -4.7 24.3 781 976 A Y H > S+ 0 0 41 -3,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.922 109.3 45.1 -61.7 -43.4 38.3 -4.2 27.9 782 977 A E H > S+ 0 0 92 -3,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.899 112.3 53.2 -65.0 -36.2 41.5 -2.4 28.9 783 978 A I H X S+ 0 0 2 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.906 107.3 50.6 -69.0 -40.6 41.3 -0.3 25.8 784 979 A L H X S+ 0 0 3 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.878 108.2 52.4 -59.3 -37.6 37.7 0.7 26.6 785 980 A K H X S+ 0 0 57 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.881 108.7 51.9 -69.2 -31.3 38.8 1.8 30.1 786 981 A K H X S+ 0 0 67 -4,-1.7 4,-2.8 2,-0.2 5,-0.3 0.909 108.9 49.1 -69.1 -46.4 41.5 3.9 28.4 787 982 A L H X>S+ 0 0 0 -4,-2.2 5,-2.9 2,-0.2 4,-2.1 0.912 111.6 49.9 -55.6 -47.1 39.0 5.6 26.1 788 983 A E H <>S+ 0 0 48 -4,-2.5 5,-2.2 4,-0.2 -2,-0.2 0.939 117.7 39.2 -57.1 -46.7 36.8 6.3 29.1 789 984 A N H <5S+ 0 0 111 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.838 128.2 28.3 -76.5 -34.2 39.6 7.8 31.1 790 985 A E H <5S+ 0 0 103 -4,-2.8 -3,-0.2 -5,-0.1 -2,-0.2 0.694 134.7 8.7-102.3 -24.1 41.5 9.7 28.3 791 986 A V T <5S+ 0 0 33 -4,-2.1 -3,-0.2 -5,-0.3 -4,-0.1 0.675 125.4 40.0-127.1 -58.4 38.9 10.7 25.7 792 987 A L T > > - 0 0 11 1,-0.2 4,-2.2 -536,-0.1 3,-0.9 -0.643 58.2-146.3 -77.9 118.5 27.3 14.1 23.8 798 993 A P H 3> S+ 0 0 1 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.865 98.1 56.2 -55.7 -34.4 25.1 11.2 22.4 799 994 A N H 3> S+ 0 0 6 -539,-0.3 4,-1.3 1,-0.2 5,-0.1 0.856 108.1 46.4 -66.6 -33.3 27.5 10.8 19.5 800 995 A D H <> S+ 0 0 34 -3,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.917 115.1 46.1 -75.7 -45.7 30.5 10.3 21.8 801 996 A I H X S+ 0 0 7 -4,-2.2 4,-2.0 1,-0.2 5,-0.3 0.945 113.8 47.1 -60.1 -53.1 28.7 7.8 24.0 802 997 A R H X S+ 0 0 21 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.816 111.5 53.7 -53.2 -36.4 27.3 5.8 21.0 803 998 A A H < S+ 0 0 0 -4,-1.3 5,-0.2 -5,-0.2 -30,-0.2 0.876 110.2 45.7 -72.9 -38.6 30.8 5.8 19.3 804 999 A V H < S+ 0 0 0 -4,-1.9 4,-0.4 -5,-0.1 -2,-0.2 0.907 126.5 23.4 -71.1 -39.5 32.6 4.3 22.4 805 1000 A Y H X S+ 0 0 12 -4,-2.0 4,-1.7 -5,-0.2 -2,-0.2 0.858 106.6 63.2-104.2 -38.8 30.1 1.6 23.2 806 1001 A L T < S+ 0 0 36 -4,-1.6 4,-0.5 -5,-0.3 3,-0.3 0.928 103.7 47.7 -63.7 -47.1 27.9 0.4 20.3 807 1002 A P T >4 S+ 0 0 20 0, 0.0 3,-2.1 0, 0.0 -1,-0.2 0.948 109.3 55.8 -59.0 -43.3 30.6 -1.0 18.0 808 1003 A F G >4 S+ 0 0 0 -4,-0.4 3,-2.5 1,-0.3 7,-0.3 0.880 98.2 64.0 -47.6 -43.6 32.2 -2.9 21.0 809 1004 A T G 3< S+ 0 0 8 -4,-1.7 -1,-0.3 1,-0.3 -3,-0.1 0.657 95.1 59.4 -63.2 -15.5 28.7 -4.6 21.6 810 1005 A N G < S+ 0 0 77 -3,-2.1 2,-1.2 -4,-0.5 -1,-0.3 0.344 72.5 114.9 -89.6 5.0 29.0 -6.3 18.3 811 1006 A N <>> - 0 0 20 -3,-2.5 4,-2.4 1,-0.2 5,-0.8 -0.651 54.5-160.9 -80.2 104.5 32.2 -8.1 19.2 812 1007 A L H >5S+ 0 0 17 -2,-1.2 4,-0.6 1,-0.2 -1,-0.2 0.919 82.3 36.2 -58.3 -48.5 31.0 -11.6 19.2 813 1008 A R H 45S+ 0 0 66 1,-0.1 -1,-0.2 2,-0.1 5,-0.2 0.924 127.4 32.3 -66.3 -44.6 33.8 -13.2 21.3 814 1009 A R H >45S+ 0 0 68 2,-0.2 3,-1.5 1,-0.1 8,-0.2 0.866 113.8 50.6 -92.7 -40.6 34.3 -10.4 23.8 815 1010 A F H 3<5S+ 0 0 0 -4,-2.4 7,-0.3 -7,-0.3 8,-0.3 0.914 116.5 47.0 -62.4 -37.9 31.1 -8.6 24.4 816 1011 A H T 3< S+ 0 0 6 -3,-2.9 4,-2.2 -4,-0.0 5,-0.2 0.519 71.1 132.8 77.0 7.2 28.9 -11.7 31.7 821 1016 A K H > S+ 0 0 98 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.833 70.5 52.9 -58.7 -37.5 31.5 -8.8 32.2 822 1017 A G H > S+ 0 0 0 -5,-0.3 4,-2.4 -7,-0.3 -1,-0.2 0.912 109.5 46.9 -63.2 -44.6 30.4 -7.2 28.9 823 1018 A Y H > S+ 0 0 0 -6,-0.3 4,-2.6 -8,-0.3 -2,-0.2 0.888 113.1 50.3 -66.9 -37.3 26.7 -7.2 29.8 824 1019 A K H X S+ 0 0 39 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.915 108.8 52.0 -64.5 -45.4 27.6 -5.7 33.2 825 1020 A L H X S+ 0 0 30 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.943 113.0 43.4 -55.3 -55.3 29.7 -3.0 31.5 826 1021 A I H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.889 110.9 54.7 -64.1 -41.3 26.8 -1.9 29.1 827 1022 A A H X S+ 0 0 4 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.907 107.0 51.7 -55.7 -42.6 24.2 -2.0 31.9 828 1023 A E H X S+ 0 0 128 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.938 112.4 45.8 -59.2 -49.0 26.4 0.4 34.0 829 1024 A V H X S+ 0 0 14 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.913 111.3 51.8 -58.0 -48.4 26.6 2.8 31.1 830 1025 A I H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 -2,-0.2 0.941 112.4 46.3 -54.6 -48.7 22.8 2.6 30.3 831 1026 A T H X S+ 0 0 34 -4,-2.5 4,-0.8 -5,-0.2 -2,-0.2 0.903 114.2 47.5 -65.5 -38.9 22.0 3.3 34.0 832 1027 A K H >< S+ 0 0 119 -4,-2.5 3,-0.6 -5,-0.2 4,-0.4 0.918 114.9 46.5 -63.3 -48.5 24.5 6.3 34.1 833 1028 A T H >X S+ 0 0 4 -4,-2.9 4,-3.0 1,-0.2 3,-1.9 0.888 100.8 65.9 -60.6 -42.4 23.2 7.6 30.8 834 1029 A D H 3< S+ 0 0 12 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.766 88.2 69.7 -52.3 -32.8 19.5 7.3 31.8 835 1030 A K T << S+ 0 0 130 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.822 121.1 12.8 -56.5 -30.7 20.1 10.0 34.6 836 1031 A F T <4 S+ 0 0 35 -3,-1.9 -2,-0.2 -4,-0.4 -1,-0.2 0.700 138.2 24.7-123.0 -25.1 20.4 12.6 31.8 837 1032 A N X + 0 0 1 -4,-3.0 4,-2.3 1,-0.1 3,-0.2 -0.699 52.4 178.8-145.8 90.0 19.3 11.2 28.5 838 1033 A P H > S+ 0 0 25 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.769 83.3 61.1 -62.9 -29.1 16.7 8.3 28.6 839 1034 A M H > S+ 0 0 47 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.957 108.7 40.7 -63.1 -49.7 16.6 8.2 24.8 840 1035 A V H > S+ 0 0 2 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.903 111.1 58.3 -64.3 -38.1 20.3 7.4 24.5 841 1036 A A H X S+ 0 0 0 -4,-2.3 4,-0.7 1,-0.2 3,-0.2 0.944 108.1 47.1 -56.3 -44.2 20.0 5.0 27.5 842 1037 A T H >< S+ 0 0 11 -4,-2.3 3,-0.7 1,-0.2 -1,-0.2 0.859 108.6 54.0 -65.1 -37.5 17.4 3.1 25.5 843 1038 A Q H >< S+ 0 0 57 -4,-1.9 3,-1.4 1,-0.2 -1,-0.2 0.859 102.6 58.1 -62.1 -33.6 19.5 3.1 22.4 844 1039 A L H 3< S+ 0 0 1 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.658 92.4 71.1 -75.9 -14.7 22.4 1.5 24.4 845 1040 A C T X< + 0 0 0 -4,-0.7 3,-2.2 -3,-0.7 4,-0.4 0.511 66.0 108.1 -68.2 -8.0 20.1 -1.4 25.3 846 1041 A E G X + 0 0 59 -3,-1.4 3,-2.2 1,-0.3 4,-0.3 0.790 69.4 56.4 -49.3 -43.1 20.2 -2.7 21.7 847 1042 A P G > S+ 0 0 13 0, 0.0 3,-0.8 0, 0.0 -1,-0.3 0.746 98.9 62.6 -63.0 -22.8 22.5 -5.8 22.3 848 1043 A F G X S+ 0 0 0 -3,-2.2 3,-2.0 1,-0.2 4,-0.2 0.623 78.5 90.2 -71.1 -12.3 20.0 -7.0 24.9 849 1044 A K G < S+ 0 0 16 -3,-2.2 3,-0.3 -4,-0.4 -1,-0.2 0.800 91.5 42.2 -56.8 -29.3 17.3 -7.2 22.1 850 1045 A L G X S+ 0 0 19 -3,-0.8 3,-2.9 -4,-0.3 4,-0.5 0.235 76.3 121.6-101.2 18.4 18.3 -10.9 21.4 851 1046 A W G X S+ 0 0 19 -3,-2.0 3,-1.1 1,-0.3 -1,-0.2 0.837 74.1 50.2 -52.4 -41.0 18.7 -12.0 25.0 852 1047 A N G 3 S+ 0 0 41 -3,-0.3 -1,-0.3 1,-0.2 -208,-0.2 0.386 103.3 63.2 -84.7 3.9 16.1 -14.9 24.7 853 1048 A K G < S+ 0 0 58 -3,-2.9 -208,-2.5 -210,-0.1 -1,-0.2 0.466 89.7 84.2 -96.6 -6.7 17.8 -16.2 21.5 854 1049 A L B < S-b 645 0J 1 -3,-1.1 -210,-0.2 -4,-0.5 -208,-0.2 -0.379 91.5 -71.5 -95.3 171.4 21.1 -17.1 23.2 855 1050 A D > - 0 0 24 -210,-2.4 4,-2.7 -211,-0.3 5,-0.2 -0.136 55.9 -97.8 -51.8 158.4 22.4 -20.2 25.2 856 1051 A T H > S+ 0 0 107 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.830 120.6 50.9 -47.4 -50.2 21.0 -20.8 28.7 857 1052 A K H > S+ 0 0 83 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.950 113.3 41.5 -56.6 -53.0 23.9 -19.3 30.5 858 1053 A R H > S+ 0 0 3 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.890 111.2 57.4 -70.6 -38.9 24.0 -16.0 28.5 859 1054 A Q H X S+ 0 0 54 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.937 110.1 45.2 -52.7 -46.8 20.2 -15.7 28.6 860 1055 A E H X S+ 0 0 118 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.889 111.5 52.2 -67.9 -38.8 20.4 -15.8 32.4 861 1056 A L H X S+ 0 0 27 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.907 113.5 43.1 -63.7 -43.3 23.4 -13.3 32.5 862 1057 A M H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.892 112.0 52.7 -72.1 -42.0 21.6 -10.7 30.4 863 1058 A L H X S+ 0 0 55 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.888 106.3 55.7 -58.1 -41.0 18.3 -11.2 32.2 864 1059 A N H X S+ 0 0 87 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.930 110.5 44.1 -53.1 -49.2 20.2 -10.6 35.5 865 1060 A E H X S+ 0 0 26 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.874 111.6 52.4 -69.2 -39.5 21.5 -7.2 34.2 866 1061 A M H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.912 111.0 47.4 -60.0 -42.0 18.1 -6.2 32.8 867 1062 A N H X S+ 0 0 71 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.864 109.6 53.8 -68.8 -38.4 16.5 -6.9 36.1 868 1063 A T H < S+ 0 0 69 -4,-2.2 3,-0.5 2,-0.2 4,-0.3 0.943 111.1 46.3 -55.8 -49.0 19.3 -4.9 38.0 869 1064 A M H >< S+ 0 0 2 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.867 109.8 53.9 -62.8 -39.6 18.6 -1.9 35.7 870 1065 A L H 3< S+ 0 0 19 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.776 103.7 57.1 -67.1 -24.3 14.8 -2.3 36.2 871 1066 A Q T 3< S+ 0 0 154 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.478 75.9 120.3 -85.9 -0.9 15.3 -2.2 40.0 872 1067 A E X - 0 0 76 -3,-1.3 3,-1.9 -4,-0.3 -3,-0.0 -0.487 60.5-144.7 -67.7 122.2 17.1 1.3 39.8 873 1068 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.834 97.7 49.7 -61.4 -30.5 15.0 3.6 42.0 874 1069 A Q T 3 S+ 0 0 162 2,-0.0 -2,-0.1 -3,-0.0 2,-0.1 0.088 79.6 144.9 -95.1 26.2 15.8 6.5 39.6 875 1070 A I < - 0 0 30 -3,-1.9 -44,-0.0 -5,-0.1 -5,-0.0 -0.358 49.3-119.6 -65.4 135.9 14.8 4.7 36.3 876 1071 A S > - 0 0 21 1,-0.1 4,-2.4 -2,-0.1 5,-0.1 -0.334 17.3-120.1 -67.1 157.1 13.2 6.9 33.6 877 1072 A N H > S+ 0 0 130 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.881 114.9 54.4 -61.3 -40.4 9.7 6.0 32.4 878 1073 A N H > S+ 0 0 45 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.941 112.4 41.3 -63.6 -45.3 11.2 5.6 28.9 879 1074 A L H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.934 114.9 52.7 -68.1 -44.2 13.9 3.1 30.0 880 1075 A K H X S+ 0 0 55 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.913 108.7 47.3 -55.2 -52.7 11.4 1.3 32.3 881 1076 A E H X S+ 0 0 21 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.905 113.6 51.1 -54.7 -44.1 8.7 0.7 29.6 882 1077 A Y H X S+ 0 0 23 -4,-1.8 4,-2.8 -5,-0.3 -2,-0.2 0.963 113.8 40.2 -61.9 -51.3 11.3 -0.6 27.2 883 1078 A L H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.799 113.2 55.2 -72.5 -26.8 12.9 -3.1 29.5 884 1079 A L H <>S+ 0 0 67 -4,-2.1 5,-2.5 -5,-0.3 4,-0.2 0.940 112.9 43.0 -69.5 -44.3 9.5 -4.2 30.9 885 1080 A R H ><5S+ 0 0 85 -4,-2.5 3,-1.1 -5,-0.2 -2,-0.2 0.907 113.8 51.6 -64.2 -43.5 8.4 -5.0 27.3 886 1081 A L H 3<5S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.855 113.8 42.7 -65.0 -35.2 11.7 -6.6 26.4 887 1082 A T T 3<5S- 0 0 15 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.317 108.6-121.6 -96.0 10.4 11.7 -9.0 29.5 888 1083 A N T < 5 0 0 100 -3,-1.1 -3,-0.2 -4,-0.2 -4,-0.1 0.800 360.0 360.0 58.6 36.4 8.0 -9.8 29.1 889 1084 A K < 0 0 98 -5,-2.5 -1,-0.1 -6,-0.2 -5,-0.1 0.159 360.0 360.0-121.6 360.0 7.3 -8.5 32.6